Black formatting and fixing line endings in an example.

rwest · Aug 3, 2023 · 0f9795c · 0f9795c
1 parent 4956f72
commit 0f9795c
Showing 1 changed file with 6 additions and 8 deletions.
diff --git a/examples/arkane/species/Toulene_Hindered_Rotor_SemiClassicalND/toluene_HinderedRotor.py b/examples/arkane/species/Toulene_Hindered_Rotor_SemiClassicalND/toluene_HinderedRotor.py
@@ -1,9 +1,9 @@
 #!/usr/bin/env python
 # -*- coding: utf-8 -*-
 bonds = {
-    'C-C': 4,
-    'C-H': 8,
-    'C=C': 3,
+    "C-C": 4,
+    "C-H": 8,
+    "C=C": 3,
 }
 
 externalSymmetry = 1
@@ -12,12 +12,10 @@
 
 opticalIsomers = 1
 
-energy = {
-    'CBS-QB3': Log('TolueneEnergy.log')
-}
+energy = {"CBS-QB3": Log("TolueneEnergy.log")}
 
-geometry = Log('TolueneFreq.log')
+geometry = Log("TolueneFreq.log")
 
-frequencies = Log('TolueneFreq.log')
+frequencies = Log("TolueneFreq.log")
 
 rotors = [HinderedRotorClassicalND(calc_path="TolueneRot1.log", pivots=[[3, 12]], tops=[[12, 13, 14, 15]], sigmas=[6], semiclassical=True)]